1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H23N5O3 — CID 56914290

IUPAC1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25)
InChIKeyWEWHVEHEPYBBIG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.27
Rot. Bonds6

About 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56914290) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56914290
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25)
InChIKeyWEWHVEHEPYBBIG-UHFFFAOYSA-N
XLogP1.27
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Methylimidazol-1-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 53568223
1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895252
(2S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97154125
4-(1H-imidazol-1-ylmethyl)-1-[4-(1H-pyrazol-1-yl)butanoyl]piperidine
CID 124211276
1-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125525351
4,4,4-Trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 75463649
(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 97316421
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 97316422
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939410
6-Acetyl-2-[(1-methylimidazol-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155855047
1-[(1-ethylpyrazol-4-yl)methyl]-4-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;formic acid
CID 171694797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56914290) is 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is Cc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is WEWHVEHEPYBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25).
What are the key properties of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56914290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).